[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone

C14H18FN3O2 — CID 56804296

IUPAC[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(c2cccc(F)n2)CC1
InChIInChI=1S/C14H18FN3O2/c15-12-4-1-5-13(16-12)17-6-8-18(9-7-17)14(19)11-3-2-10-20-11/h1,4-5,11H,2-3,6-10H2
InChIKeyVFSVGONAPNMQIB-UHFFFAOYSA-N
MW279.31 g/mol
LogP1.05
Rot. Bonds2

About [4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone

[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone (PubChem CID 56804296) has the molecular formula C14H18FN3O2 and a molecular weight of 279.31 g/mol. Its IUPAC name is [4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone
PubChem CID56804296
Molecular FormulaC14H18FN3O2
Molecular Weight279.31 g/mol
Exact Mass279.14
IUPAC Name[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone
SMILESO=C(C1CCCO1)N1CCN(c2cccc(F)n2)CC1
InChIInChI=1S/C14H18FN3O2/c15-12-4-1-5-13(16-12)17-6-8-18(9-7-17)14(19)11-3-2-10-20-11/h1,4-5,11H,2-3,6-10H2
InChIKeyVFSVGONAPNMQIB-UHFFFAOYSA-N
XLogP1.05
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone (CID 56804296) is [4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone is O=C(C1CCCO1)N1CCN(c2cccc(F)n2)CC1.
What is the InChIKey of [4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
The InChIKey is VFSVGONAPNMQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2/c15-12-4-1-5-13(16-12)17-6-8-18(9-7-17)14(19)11-3-2-10-20-11/h1,4-5,11H,2-3,6-10H2.
What are the key properties of [4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone?
[4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone has a molecular weight of 279.31 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-fluoro-2-pyridinyl)piperazin-1-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 56804296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).